2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide

C20H20F3NO2 — CID 10992102

IUPAC2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)C(c1ccccc1)C2
InChIInChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)
InChIKeyLBYVRCORGULJGD-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.19
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide (PubChem CID 10992102) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
PubChem CID10992102
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)C(c1ccccc1)C2
InChIInChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25)
InChIKeyLBYVRCORGULJGD-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide with MolForge

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Related Compounds

Agomelatine
CID 82148
Ramelteon
CID 208902
N-(2-(1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-yl)ethyl)propanamide
CID 9881626
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
Difluoroagomelatine
CID 57381112

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide (CID 10992102) is 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)C(c1ccccc1)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
The InChIKey is LBYVRCORGULJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-26-15-8-7-14-11-17(13-5-3-2-4-6-13)16(18(14)12-15)9-10-24-19(25)20(21,22)23/h2-8,12,16-17H,9-11H2,1H3,(H,24,25).
What are the key properties of 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide is sourced from PubChem (CID 10992102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).